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First principle calculations of the optical properties of a neutral oxygen vacancy in Ge-doped silica

โœ Scribed by Gianfranco Pacchioni; Andrea Basile

Book ID
117149916
Publisher
Elsevier Science
Year
1999
Tongue
English
Weight
162 KB
Volume
254
Category
Article
ISSN
0022-3093

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A first principles study of positively c
A first principles study of positively charged oxygen vacancies migration in pure and Ge-doped amorphous silica
โœ Richard Nicolas; Girard Sylvain; Martin-Samos Layla; Boukenter Aziz; Ouerdane Yo ๐Ÿ“‚ Article ๐Ÿ“… 2008 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 225 KB

Using first principles calculations in a periodic amorphous silica supercell, we calculated the energies and the migration barriers of a positively charged oxygen vacancy in pure and germanium-doped silica. The results show that the puckered and dimer structures of the Si-E 0 and of the Ge-E 0 cente